3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-hydroxyethylamino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H20N3O+ MolecularWeight: 294.3709

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCO)C3=CC=CC=C3

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)NCCO)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O/c19-12-16-14-8-4-5-9-15(14)17(13-6-2-1-3-7-13)21-18(16)20-10-11-22/h1-3,6-7,22H,4-5,8-11H2,(H,20,21)/p+1